CID 5273398

Chembl183722

Structural Information

Molecular Formula
C23H23N5
SMILES
CCCC(C)NC1=NC=NC2=C1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H23N5/c1-3-10-16(2)26-22-21-23(25-15-24-22)28-20(18-13-8-5-9-14-18)19(27-21)17-11-6-4-7-12-17/h4-9,11-16H,3,10H2,1-2H3,(H,24,25,26,28)
InChIKey
FWJFPZZMLAQDFR-UHFFFAOYSA-N
Compound name
N-pentan-2-yl-6,7-diphenylpteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.19534 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20262 193.0
[M+Na]+ 392.18456 199.7
[M-H]- 368.18806 197.5
[M+NH4]+ 387.22916 199.6
[M+K]+ 408.15850 191.3
[M+H-H2O]+ 352.19260 179.5
[M+HCOO]- 414.19354 209.4
[M+CH3COO]- 428.20919 200.7
[M+Na-2H]- 390.17001 199.3
[M]+ 369.19479 192.6
[M]- 369.19589 192.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.